N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-4-oxidanylidene-pentanamide

Systemtic Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-4-oxidanylidene-pentanamide Openeye Name: N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-4-oxo-pentanamide CAS Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-4-oxopentanamide IUPAC Name: N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-4-oxopentanamide Traditional Name: N-cyclopentyl-4-keto-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]valeramide Formula: C25H39N2O2+ MolecularWeight: 399.58936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)CCC(=O)C

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)CCC(=O)C

InChI

InChI=1S/C25H38N2O2/c1-20-7-3-4-8-23(20)15-18-26-16-13-22(14-17-26)19-27(24-9-5-6-10-24)25(29)12-11-21(2)28/h3-4,7-8,22,24H,5-6,9-19H2,1-2H3/p+1